1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine

C14H14Cl2N2 — CID 66448228

IUPAC1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2/c1-9-4-3-7-18-13(9)8-12(17)10-5-2-6-11(15)14(10)16/h2-7,12H,8,17H2,1H3
InChIKeyYFLPKLKHVIBJJE-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.94
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine

1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66448228) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66448228
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2/c1-9-4-3-7-18-13(9)8-12(17)10-5-2-6-11(15)14(10)16/h2-7,12H,8,17H2,1H3
InChIKeyYFLPKLKHVIBJJE-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447248
1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 114027773
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650936
1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 63416558
1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 81461099
1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448229
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
1-[3-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 115982371
1-(3,5-difluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448420
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine (CID 66448228) is 1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine is Cc1cccnc1CC(N)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is YFLPKLKHVIBJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-9-4-3-7-18-13(9)8-12(17)10-5-2-6-11(15)14(10)16/h2-7,12H,8,17H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 281.19 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66448228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).